SCHEMBL1025805

SCHEMBL1025805

CCCCCCCCCCCCCCC(=NNC(=O)c1ccccc1)C(c1ccccn1)c1ccccn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ LMNA P02545 5/20 0.46
▸ HTT P42858 5/20 0.46
▸ AGTR1 P30556 1/20 0.45
▸ CYP1A2 P05177 2/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ HPGD P15428 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ ALDH1A1 P00352 3/20 0.43
▸ NAAA Q02083 1/20 0.43
▸ CES1 P23141 2/20 0.41
▸ CES2 O00748 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ FAAH O00519 2/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1026536 0.94 NAAA (0.45) SMN1; SMN2LMNAHTTCYP1A2CYP2C19
SCHEMBL1027198 0.93 MAPT (0.45) SMN1; SMN2LMNAHTTAGTR1CYP1A2
SCHEMBL1025204 0.92 MAPT (0.47) SMN1; SMN2LMNAHTTAGTR1CYP1A2
SCHEMBL1023783 0.90 OGG1 (0.54) SMN1; SMN2LMNAHTTAGTR1CYP1A2
SCHEMBL1027788 0.82 LMNA (0.43) SMN1; SMN2LMNAHTTCYP1A2CYP2C19
SCHEMBL1027263 0.81 TOP2A (0.46) SMN1; SMN2LMNAHTTCYP1A2CYP2C19
SCHEMBL1029009 0.81 LMNA (0.40) SMN1; SMN2LMNAHTTCYP1A2CYP2C19
SCHEMBL1027939 0.80 LMNA (0.41) SMN1; SMN2LMNAHTTCYP1A2CYP2C19
SCHEMBL1028980 0.80 TOP2A (0.51) SMN1; SMN2LMNAHTTCYP1A2CYP2C19
SCHEMBL3966650 0.78 LMNA (0.56) SMN1; SMN2LMNAHTTCYP1A2CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1608623-B1 METAL ION CHELATORS AND THERAPEUTIC USE THEREOF RICHARDSON DESI RAYMOND (AU) 2011-01-19 — — EP claimed
Send feedback